NEB code Based on Python, Numpy and Matplotlib.
Reference:
- Nudged elastic band method for finding minimum energy paths of transitions.
- Sheppard, D., R. Terrell, and G. Henkelman, Optimization methods for finding minimum energy paths. J Chem Phys, 2008. 128(13): p. 134106.
- Henkelman, G., B.P. Uberuaga, and H. Jónsson, A climbing image nudged elastic band method for finding saddle points and minimum energy paths. The Journal of Chemical Physics, 2000. 113(22): p. 9901-9904.